[3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol

C9H12N4OS — CID 107421679

IUPAC[3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCn1cccn1
InChIInChI=1S/C9H12N4OS/c1-12-8(6-14)5-10-9(12)15-7-13-4-2-3-11-13/h2-5,14H,6-7H2,1H3
InChIKeyMWRLTLYHYJSFFS-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.86
Rot. Bonds4

About [3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol

[3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol (PubChem CID 107421679) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is [3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol
PubChem CID107421679
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name[3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCn1cccn1
InChIInChI=1S/C9H12N4OS/c1-12-8(6-14)5-10-9(12)15-7-13-4-2-3-11-13/h2-5,14H,6-7H2,1H3
InChIKeyMWRLTLYHYJSFFS-UHFFFAOYSA-N
XLogP0.86
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol
CID 66150655
(3-methyl-2-pentylsulfanylimidazol-4-yl)methanol
CID 66152109
[2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol
CID 66150914
2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide
CID 66152095
[2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 66149604
[3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol
CID 66149423
[3-methyl-2-[3-(2-methylimidazol-1-yl)propylsulfanyl]imidazol-4-yl]methanol
CID 111825290
2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-1-(2-methylphenyl)ethanone
CID 111825191
[3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol
CID 66150885
1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone
CID 66150442
(2-hept-6-enylsulfanyl-3-methylimidazol-4-yl)methanol
CID 107007971
[2-(3-methoxypropylsulfanyl)-3-methylimidazol-4-yl]methanol
CID 66149420

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol?
The IUPAC name of [3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol (CID 107421679) is [3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol?
The canonical SMILES for [3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol is Cn1c(CO)cnc1SCn1cccn1.
What is the InChIKey of [3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol?
The InChIKey is MWRLTLYHYJSFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-12-8(6-14)5-10-9(12)15-7-13-4-2-3-11-13/h2-5,14H,6-7H2,1H3.
What are the key properties of [3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol?
[3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol has a molecular weight of 224.29 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol is sourced from PubChem (CID 107421679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).